N-(5-bromo-6-methyl-2-pyridinyl)-3,4-dichlorobenzamide

C13H9BrCl2N2O — CID 4509260

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-3,4-dichlorobenzamide
SMILESCc1nc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1Br
InChIInChI=1S/C13H9BrCl2N2O/c1-7-9(14)3-5-12(17-7)18-13(19)8-2-4-10(15)11(16)6-8/h2-6H,1H3,(H,17,18,19)
InChIKeyKCSBZXSFSOSCNH-UHFFFAOYSA-N
MW360.04 g/mol
LogP4.71
Rot. Bonds2

About N-(5-bromo-6-methyl-2-pyridinyl)-3,4-dichlorobenzamide

N-(5-bromo-6-methyl-2-pyridinyl)-3,4-dichlorobenzamide (PubChem CID 4509260) has the molecular formula C13H9BrCl2N2O and a molecular weight of 360.04 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-3,4-dichlorobenzamide
PubChem CID4509260
Molecular FormulaC13H9BrCl2N2O
Molecular Weight360.04 g/mol
Exact Mass357.93
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-3,4-dichlorobenzamide
SMILESCc1nc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1Br
InChIInChI=1S/C13H9BrCl2N2O/c1-7-9(14)3-5-12(17-7)18-13(19)8-2-4-10(15)11(16)6-8/h2-6H,1H3,(H,17,18,19)
InChIKeyKCSBZXSFSOSCNH-UHFFFAOYSA-N
XLogP4.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.04
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-6-methyl-2-pyridinyl)-3-chloro-4-methoxybenzamide
CID 1396763
N-(5-bromo-6-methyl-2-pyridinyl)-5,6-dichloropyridine-3-carboxamide
CID 79048562
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropyridine-4-carboxamide
CID 71987347
4-bromo-N-(5-bromo-6-methyl-2-pyridinyl)benzamide
CID 4509258
N-(5-bromo-6-methyl-2-pyridinyl)-3-hydroxy-4-methylbenzamide
CID 79048356
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-5-iodobenzamide
CID 4509262
N-(5-bromo-6-methyl-2-pyridinyl)-3-hydroxybenzamide
CID 79049112
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 79048306
N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]-3-chloro-4-methoxybenzamide
CID 1289437
3-bromo-N-(5-bromo-6-methyl-2-pyridinyl)-5-methylbenzamide
CID 113460607
N-(5-bromo-6-methyl-2-pyridinyl)-6-methylpyridine-3-carboxamide
CID 79048580
N-(5-bromo-6-methyl-2-pyridinyl)-2-(methylamino)pyridine-4-carboxamide
CID 79049145

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-3,4-dichlorobenzamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-3,4-dichlorobenzamide (CID 4509260) is N-(5-bromo-6-methyl-2-pyridinyl)-3,4-dichlorobenzamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-3,4-dichlorobenzamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-3,4-dichlorobenzamide is Cc1nc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-3,4-dichlorobenzamide?
The InChIKey is KCSBZXSFSOSCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2N2O/c1-7-9(14)3-5-12(17-7)18-13(19)8-2-4-10(15)11(16)6-8/h2-6H,1H3,(H,17,18,19).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-3,4-dichlorobenzamide?
N-(5-bromo-6-methyl-2-pyridinyl)-3,4-dichlorobenzamide has a molecular weight of 360.04 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-3,4-dichlorobenzamide is sourced from PubChem (CID 4509260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).